N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C18H21NO5S2 — CID 42945819

IUPACN-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO5S2/c1-13(14-5-9-16(10-6-14)25(3,21)22)19(2)18(20)15-7-11-17(12-8-15)26(4,23)24/h5-13H,1-4H3
InChIKeyQGKNMANVRGANJN-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 42945819) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID42945819
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC NameN-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO5S2/c1-13(14-5-9-16(10-6-14)25(3,21)22)19(2)18(20)15-7-11-17(12-8-15)26(4,23)24/h5-13H,1-4H3
InChIKeyQGKNMANVRGANJN-UHFFFAOYSA-N
XLogP2.33
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
CID 42945823
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
CID 42951899
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 42945844
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278
5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 112813602

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 42945819) is N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is QGKNMANVRGANJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-13(14-5-9-16(10-6-14)25(3,21)22)19(2)18(20)15-7-11-17(12-8-15)26(4,23)24/h5-13H,1-4H3.
What are the key properties of N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 42945819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).